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ling add citation for sbm paper #585

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34 changes: 34 additions & 0 deletions db/citations.yml
Original file line number Diff line number Diff line change
Expand Up @@ -8455,6 +8455,40 @@ llan;RobustnessTestSpacegroupMining22:
wwwemail: ''
wwwpub: ''
year: '2022'
llan;sbm;prm24:
ackno: ''
author:
- Ling Lan
- Qiang Du
- Simon J. L. Billinge
doi: ''
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entrytype: article
facility: ''
grant: DE-SC0024141
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journal: Physical Review Materials
month: tbd
nb: ''
note: submitted
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number: ''
optannote: ''
optwwwlanl: ''
pages: ''
synopsis: A quantitative measure of symmetry breaking is introduced that allows the quantification
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of which symmetries are most strongly broken due to the introduction of some kind of defect in a
perfect structure. The method uses a statistical approach based on the Jensen-Shannon divergence.
The measure is calculated by comparing the transformed atomic density function with its original.
Software code is presented that carries the calculations out numer- ically using Monte Carlo
methods. The behavior of this symmetry breaking measure is tested for various cases including
finite size crystallites (where the surfaces break the crystallographic symmetry), atomic
displacements from high symmetry positions, and collective motions of atoms due to rotations of
rigid octahedra. The approach provides a powerful tool for assessing local symmetry breaking
and offers new insights that can help researchers understand how different structural distortions
affect different symmetry operations.
tags: symmetry_breaking
title: A continuous symmetry breaking measure for finite clusters using Jensen-Shannon divergence
url: ''
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volume: ''
year: '2024'
lo;nc19:
ackno: We dedicate this paper to the memory of H.-Y. Huang (Department of Chemistry,
Chung Yuan Christian University) for her enthusiasm for—and encouragement of—this
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